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Amoxapine - Bio-X TM

CAT: 0926-BA164170Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0926-BA164170Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
14028-44-5
Synonyms
2-Chloro-11- (1-piperazinyl) dibenz[b, f][1,4]oxazepine; CL-67772; Asendin
MDL Number
MFCD00069210
Smiles
C1CN (CCN1) C2=NC3=CC=CC=C3OC4=C2C=C (C=C4) Cl
Molecular Formula
C17H16ClN3O
Molecular Weight
313.78 g/mol
Controlled
No

Chemical Information

Amoxapine

Amoxapine can cause developmental toxicity according to state or federal government labeling requirements.

CAS Number14028-44-5
PubChem CID2170
IUPAC Name8-chloro-6-piperazin-1-ylbenzo[b][1,4]benzoxazepine
Molecular FormulaC17H16ClN3O
Molecular Weight313.8
XLogP2.6
Topological Polar Surface Area36.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count22
Formal Charge0
Complexity424
SMILES
C1CN(CCN1)C2=NC3=CC=CC=C3OC4=C2C=C(C=C4)Cl
InChI
InChI=1S/C17H16ClN3O/c18-12-5-6-15-13(11-12)17(21-9-7-19-8-10-21)20-14-3-1-2-4-16(14)22-15/h1-6,11,19H,7-10H2
InChIKey
QWGDMFLQWFTERH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Amoxapine
CAS: 14028-44-5
CID: 2170
Formula: C17H16ClN3O
MW: 313.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight313.8
XLogP32.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass313.0981898
Monoisotopic Mass313.0981898
Topological Polar Surface Area36.9 Ų
Heavy Atom Count22
Formal Charge0
Complexity424
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
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